Dear all,
I have, I think, a very simple question. It’s basically in the title.
I just want to do a few opt, freq and tddft calculations on complexes in different oxidation states and wanted to know if I have to specifically set “unrestricted = 1” for the forms with an odd number of electrons such as radical cations (1 2 in the $molecule section).
Thank you and sorry if this has been answered before.
Nils